potassium;6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;4-bromo-2,6-difluoroaniline;tert-butyl 4-[(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine;ethoxymethanethione;methane;sulfanide;dihydrochloride

C126H164BBr3Cl4F7KN25O11S7- — CID 161048698

About potassium;6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;4-bromo-2,6-difluoroaniline;tert-butyl 4-[(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine;ethoxymethanethione;methane;sulfanide;dihydrochloride

potassium;6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;4-bromo-2,6-difluoroaniline;tert-butyl 4-[(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine;ethoxymethanethione;methane;sulfanide;dihydrochloride (PubChem CID 161048698) has the molecular formula C126H164BBr3Cl4F7KN25O11S7- and a molecular weight of 2993.75 g/mol. Its IUPAC name is potassium;6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;4-bromo-2,6-difluoroaniline;tert-butyl 4-[(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine;ethoxymethanethione;methane;sulfanide;dihydrochloride.

Molecular Properties

• Compound Name: potassium;6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;4-bromo-2,6-difluoroaniline;tert-butyl 4-[(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine;ethoxymethanethione;methane;sulfanide;dihydrochloride
• PubChem CID: 161048698
• Molecular Formula: C126H164BBr3Cl4F7KN25O11S7-
• Molecular Weight: 2993.75 g/mol
• Exact Mass: 2986.70
• IUPAC Name: potassium;6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;4-bromo-2,6-difluoroaniline;tert-butyl 4-[(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine;ethoxymethanethione;methane;sulfanide;dihydrochloride
• SMILES: C.C.CCO[C-]=S.CN(c1nc2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc2s1)C1CCN(C(=O)OC(C)(C)C)CC1.CN(c1nc2c(F)cc(Br)cc2s1)C1CCN(C(=O)OC(C)(C)C)CC1.CNC1CCN(C(=O)OC(C)(C)C)CC1.Cc1cn2nc(-c3cc(F)c4nc(N(C)C5CCN(C(=O)OC(C)(C)C)CC5)sc4c3)cc(C)c2n1.Cc1cn2nc(-c3cc(F)c4nc(N(C)C5CCNCC5)sc4c3)cc(C)c2n1.Cc1cn2nc(Cl)cc(C)c2n1.Cl.Cl.Fc1cc(Br)cc2sc(Cl)nc12.Nc1c(F)cc(Br)cc1F.[K+].[SH-]
• InChI: InChI=1S/C26H31FN6O2S.C24H35BFN3O4S.C21H23FN6S.C18H23BrFN3O2S.C11H22N2O2.C8H8ClN3.C7H2BrClFNS.C6H4BrF2N.C3H5OS.2CH4.2ClH.K.H2S/c1-15-11-20(30-33-14-16(2)28-23(15)33)17-12-19(27)22-21(13-17)36-24(29-22)31(6)18-7-9-32(10-8-18)25(34)35-26(3,4)5;1-22(2,3)31-21(30)29-11-9-16(10-12-29)28(8)20-27-19-17(26)13-15(14-18(19)34-20)25-32-23(4,5)24(6,7)33-25;1-12-8-17(26-28-11-13(2)24-20(12)28)14-9-16(22)19-18(10-14)29-21(25-19)27(3)15-4-6-23-7-5-15;1-18(2,3)25-17(24)23-7-5-12(6-8-23)22(4)16-21-15-13(20)9-11(19)10-14(15)26-16;1-11(2,3)15-10(14)13-7-5-9(12-4)6-8-13;1-5-3-7(9)11-12-4-6(2)10-8(5)12;8-3-1-4(10)6-5(2-3)12-7(9)11-6;7-3-1-4(8)6(10)5(9)2-3;1-2-4-3-5;;;;;;/h11-14,18H,7-10H2,1-6H3;13-14,16H,9-12H2,1-8H3;8-11,15,23H,4-7H2,1-3H3;9-10,12H,5-8H2,1-4H3;9,12H,5-8H2,1-4H3;3-4H,1-2H3;1-2H;1-2H,10H2;2H2,1H3;2*1H4;2*1H;;1H2/q;;;;;;;;-1;;;;;+1;/p-1
• InChIKey: FWXGBZFGWLWWFI-UHFFFAOYSA-M
• XLogP: 28.62
• TPSA: 363.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 39
• Rotatable Bonds: 14
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2993.75
LogP ≤ 5	28.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;4-bromo-2,6-difluoroaniline;tert-butyl 4-[(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine;ethoxymethanethione;methane;sulfanide;dihydrochloride?

The IUPAC name of potassium;6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;4-bromo-2,6-difluoroaniline;tert-butyl 4-[(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine;ethoxymethanethione;methane;sulfanide;dihydrochloride (CID 161048698) is potassium;6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;4-bromo-2,6-difluoroaniline;tert-butyl 4-[(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine;ethoxymethanethione;methane;sulfanide;dihydrochloride.

What is the SMILES notation for potassium;6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;4-bromo-2,6-difluoroaniline;tert-butyl 4-[(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine;ethoxymethanethione;methane;sulfanide;dihydrochloride?

The canonical SMILES for potassium;6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;4-bromo-2,6-difluoroaniline;tert-butyl 4-[(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine;ethoxymethanethione;methane;sulfanide;dihydrochloride is C.C.CCO[C-]=S.CN(c1nc2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc2s1)C1CCN(C(=O)OC(C)(C)C)CC1.CN(c1nc2c(F)cc(Br)cc2s1)C1CCN(C(=O)OC(C)(C)C)CC1.CNC1CCN(C(=O)OC(C)(C)C)CC1.Cc1cn2nc(-c3cc(F)c4nc(N(C)C5CCN(C(=O)OC(C)(C)C)CC5)sc4c3)cc(C)c2n1.Cc1cn2nc(-c3cc(F)c4nc(N(C)C5CCNCC5)sc4c3)cc(C)c2n1.Cc1cn2nc(Cl)cc(C)c2n1.Cl.Cl.Fc1cc(Br)cc2sc(Cl)nc12.Nc1c(F)cc(Br)cc1F.[K+].[SH-].

What is the InChIKey of potassium;6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;4-bromo-2,6-difluoroaniline;tert-butyl 4-[(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine;ethoxymethanethione;methane;sulfanide;dihydrochloride?

The InChIKey is FWXGBZFGWLWWFI-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H31FN6O2S.C24H35BFN3O4S.C21H23FN6S.C18H23BrFN3O2S.C11H22N2O2.C8H8ClN3.C7H2BrClFNS.C6H4BrF2N.C3H5OS.2CH4.2ClH.K.H2S/c1-15-11-20(30-33-14-16(2)28-23(15)33)17-12-19(27)22-21(13-17)36-24(29-22)31(6)18-7-9-32(10-8-18)25(34)35-26(3,4)5;1-22(2,3)31-21(30)29-11-9-16(10-12-29)28(8)20-27-19-17(26)13-15(14-18(19)34-20)25-32-23(4,5)24(6,7)33-25;1-12-8-17(26-28-11-13(2)24-20(12)28)14-9-16(22)19-18(10-14)29-21(25-19)27(3)15-4-6-23-7-5-15;1-18(2,3)25-17(24)23-7-5-12(6-8-23)22(4)16-21-15-13(20)9-11(19)10-14(15)26-16;1-11(2,3)15-10(14)13-7-5-9(12-4)6-8-13;1-5-3-7(9)11-12-4-6(2)10-8(5)12;8-3-1-4(10)6-5(2-3)12-7(9)11-6;7-3-1-4(8)6(10)5(9)2-3;1-2-4-3-5;;;;;;/h11-14,18H,7-10H2,1-6H3;13-14,16H,9-12H2,1-8H3;8-11,15,23H,4-7H2,1-3H3;9-10,12H,5-8H2,1-4H3;9,12H,5-8H2,1-4H3;3-4H,1-2H3;1-2H;1-2H,10H2;2H2,1H3;2*1H4;2*1H;;1H2/q;;;;;;;;-1;;;;;+1;/p-1.

What are the key properties of potassium;6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;4-bromo-2,6-difluoroaniline;tert-butyl 4-[(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine;ethoxymethanethione;methane;sulfanide;dihydrochloride?

potassium;6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;4-bromo-2,6-difluoroaniline;tert-butyl 4-[(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine;ethoxymethanethione;methane;sulfanide;dihydrochloride has a molecular weight of 2993.75 g/mol, XLogP of 28.62, 14 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;6-bromo-2-chloro-4-fluoro-1,3-benzothiazole;4-bromo-2,6-difluoroaniline;tert-butyl 4-[(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine;ethoxymethanethione;methane;sulfanide;dihydrochloride is sourced from PubChem (CID 161048698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).